N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114592
• Molecular Formular: C12H20N4
• Molecular Mass: 220.314
• Monoisotopic Mass: 220.16879666
• SMILES: c1(nc(cc(n1)C)NC)N1CC(CCC1)C
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCCC(C1)C
• InChI: InChI=1S/C12H20N4/c1-9-5-4-6-16(8-9)12-14-10(2)7-11(13-3)15-12/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
• InChIKey: GMIYRDDOBGFAMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091719
• PubChem SID: 162099883
• PubChem CID: 56724746

CALCULATED PROPERTIES

• Molar Refractivity: 68.8093 cm^3
• Polarizability: 24.73673 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.46869615
• LogD (pH = 7.4): 1.7219386
• Log P: 2.2505102

PROPERTIES

Physical Property

• Partition Coefficient: 1.492

Product Information

• Purity: 95+%